![CAS 1185307-76-9 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185307-76-9.gif)
CAS RN: 1185307-76-9
2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-76-9
- Purity/Analytical Methods: >99.0%
1185307-76-9 / 2-(piperidin-4-ylmethylamino)pyridine-3-carbonitrile;hydrochloride
2-[(Piperidin-4-ylmethyl)-amino]-nicotinonitrile hydrochloride | 2-((Piperidin-4-ylmethyl)amino)nicotinonitrile hydrochloride | 2-(piperidin-4-ylmethylamino)pyridine-3-carbonitrile;hydrochloride
Basic Information
CAS
1185307-76-9
Multi CAS
No
Molecular Formula
C12H17ClN4
Molecular Weight
252.740000
Exact Mass
252.114174
SMILES
C1CNCCC1CNC2=C(C=CC=N2)C#N.Cl
InChI
InChI=1S/C12H16N4.ClH/c13-8-11-2-1-5-15-12(11)16-9-10-3-6-14-7-4-10;/h1-2,5,10,14H,3-4,6-7,9H2,(H,15,16);1H
InChIKey
TZSVCXMYRDXZDV-UHFFFAOYSA-N
Synonyms
2-[(Piperidin-4-ylmethyl)-amino]-nicotinonitrile hydrochloride
2-((Piperidin-4-ylmethyl)amino)nicotinonitrile hydrochloride
2-(piperidin-4-ylmethylamino)pyridine-3-carbonitrile;hydrochloride
2-{[(piperidin-4-yl)methyl]amino}pyridine-3-carbonitrile hydrochloride
2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.28
TPSA
60.74
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1185308-02-4 4′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-ylaMine hydrochloride, 98+% C11H18ClN3, MW: 227.73 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185308-02-4.gif)
